1E5K

CRYSTAL STRUCTURE OF THE MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN MOBA (PROTEIN FA) FROM ESCHERICHIA COLI AT NEAR ATOMIC RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-15
Detector	ADSC QUANTUM
Spacegroup name	P 21 21 2
Unit cell lengths	76.574, 41.758, 54.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.350
R-factor	0.184 *
Rwork	0.184
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.047	0.142
Number of reflections	38263
<I/σ(I)>	6.9	5.2
Completeness [%]	97.9	83.4
Redundancy	3.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	HANGING DROP VAPOUR DIFFUSION. PROTEIN AT CONCENTRATION 12 MG/ML WAS MIXED WITH AN EQUAL VOLUME OF WELL SOLUTION CONSISTING OF 20% (V/V) ISOPROPANOL, 2% (W/V) PEG 1500, IN 100 MM CITRIC ACID BROUGHT TO PH 5.5 WITH NAOH. CRYSTALS GROW AT 4 DEG. C AND TAKE UP TO 8 WEEKS TO REACH FULL SIZE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	isopropanol	20 (%(v/v))
3	1	reservoir	PEG1500	2 (%(w/v))
4	1	reservoir	citric acid	100 (mM)	pH5.5